N-[rel-(2E,3aR,6aR)-3-(3,4-dipropoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Chemical Structure Depiction of
N-[rel-(2E,3aR,6aR)-3-(3,4-dipropoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
N-[rel-(2E,3aR,6aR)-3-(3,4-dipropoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide
Compound characteristics
| Compound ID: | D128-0017 |
| Compound Name: | N-[rel-(2E,3aR,6aR)-3-(3,4-dipropoxyphenyl)-5,5-dioxohexahydro-2H-5lambda~6~-thieno[3,4-d][1,3]thiazol-2-ylidene]propanamide |
| Molecular Weight: | 440.58 |
| Molecular Formula: | C20 H28 N2 O5 S2 |
| Smiles: | CCCOc1ccc(cc1OCCC)N1\C(=N/C(CC)=O)S[C@H]2CS(C[C@@H]12)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.8279 |
| logD: | 2.8279 |
| logSw: | -3.3018 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.697 |
| InChI Key: | QVHQAISYCVUBTD-UHFFFAOYSA-N |